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    General Material Information
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    PhysChem Properties
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    Organoleptic Properties
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neroli ketone

Chemical Structure

General Material Information

Preferred name neroli ketone
Trivial Name Nerone
Short Description nerone (Givaudan)
Formula C13 H22 O
CAS Number 31375-17-4
ECHA Number 250-600-3
FDA UNII IVC0R5EYXU
Nikkaji Number J69.881D
Beilstein Number 2327817
MDL MFCD01117656
xLogP3-AA 3.10 (est)
NMR Predictor External link
Synonyms
  • 1-(p- menth-1-en-6-yl) propan-1-one
  • 1-(para- menth-1-en-6-yl) propan-1-one
  • p- menthen-6-yl propanone
  • para- menthen-6-yl propanone
  • 1-1-p- menthen-6-yl-1-propanone
  • 1-(p- menthen-6-yl)-1-propanone
  • 1-(p- menthen-6(2)-yl)-1-propanone
  • 1-(para- menthen-6(2)-yl)-1-propanone
  • 1-(p- menthene-6-yl)-1-propanone
  • 1-(para- menthene-6-yl)-1-propanone
  • menthenyl ketone
  • 1-(2-methyl-5-isopropyl-2-cyclohexenyl)-1-propanone
  • 1-(2-methyl-5-propan-2-yl-1-cyclohex-2-enyl)propan-1-one
  • nerone (Givaudan)
  • nerone NP (Givaudan)
  • 1-propanone, 1-[2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]-
  • 1-propanone, 1-p-menth-6-en-2-yl-
  • 2-propionyl-6-menthene
  • 6-propionyl-p-menth-1-ene
  • 6-propionyl-para-menth-1-ene
  • 1-(5-iso propyl-2-methyl-cyclohex-2-enyl)-propan-1-one
  • 1-(2-methyl-5-propan-2-yl-1-cyclohex-2-enyl)propan-1-one
  • 1-Propanone, 1-[2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]-
  • 1-Propanone, 1-p-menth-6-en-2-yl-
  • 1-[2-Methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]-1-propanone
  • 2-Propionyl-6-menthene
  • Nerone
  • NSC 22295
  • 1-(5-Isopropyl-2-methylcyclohex-2-en-1-yl)propan-1-one
  • 1-[2-Methyl-5-(propan-2-yl)cyclohex-2-en-1-yl]propan-1-one
  • 1-(2-Methyl-5-propan-2-ylcyclohex-2-en-1-yl)propan-1-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

1-(2-methyl-5-propan-2-yl-1-cyclohex-2-enyl)propan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:31375-17-4
Pubchem (cid):35785
Pubchem (sid):134998390
Publications by PubMed
[Preliminary analysis of bitter substances in spica of Prunella vulgaris].
Fragrance material review on 1-(para-menthen-6-yl)-1-propanone.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 194.31753540039
Specific gravity @ 25 °C
Pounds per Gallon 7.572 to 7.614
Refractive Index 1.465 to 1.75 @ 20 °C
Boiling Point 262 to 263°C @ 760 mm Hg
Vapor Pressure 0.01 mmHg @ 25 °C
Flash Point TCC Value 100 °C TCC
logP (o/w) 3.73 est
Solubility
alcohol Yes
water, 12.49 mg/L @ 25 °C (est) Yes
water No
Stability
soap & detergent Unspecified

Organoleptic Properties

Odor Type: Citrus
cortex, leafy, green, woody, herbal, phenolic, floral
Odor strength medium
Substantivity 31 hour(s) at 100.00 %
Luebke, William tgsc, (1997) At 100.00 %. cortex leafy green woody herbal phenolic floral

Potential Uses

Applications
Odor purposes Bergamot, Citrus, Cologne, Floral, Green, Hay new mown hay, Mimosa, Neroli, Petitgrain, Woody
Other purposes Leaf, Natural
Cosmetic purposes Perfuming agents

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
skin-rabbit LD50 10000 ul/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 853, 1979.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for neroli ketone usage levels up to:
4.0000 % in the fragrance concentrate.
Recommendation for neroli ketone flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):31375-17-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :35785
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(2-methyl-5-propan-2-yl-1-cyclohex-2-enyl)propan-1-one
Chemidplus:0031375174